10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine

C27H20N2S — CID 166527275

IUPAC10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine
SMILESCc1cccn2c(N3c4ccccc4Sc4ccccc43)c(-c3ccccc3)cc12
InChIInChI=1S/C27H20N2S/c1-19-10-9-17-28-24(19)18-21(20-11-3-2-4-12-20)27(28)29-22-13-5-7-15-25(22)30-26-16-8-6-14-23(26)29/h2-18H,1H3
InChIKeyJJMIBOWYPNUYJI-UHFFFAOYSA-N
MW404.54 g/mol
LogP7.85
Rot. Bonds2

About 10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine

10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine (PubChem CID 166527275) has the molecular formula C27H20N2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine.

Molecular Properties

Compound Name10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine
PubChem CID166527275
Molecular FormulaC27H20N2S
Molecular Weight404.54 g/mol
Exact Mass404.13
IUPAC Name10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine
SMILESCc1cccn2c(N3c4ccccc4Sc4ccccc43)c(-c3ccccc3)cc12
InChIInChI=1S/C27H20N2S/c1-19-10-9-17-28-24(19)18-21(20-11-3-2-4-12-20)27(28)29-22-13-5-7-15-25(22)30-26-16-8-6-14-23(26)29/h2-18H,1H3
InChIKeyJJMIBOWYPNUYJI-UHFFFAOYSA-N
XLogP7.85
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine?
The IUPAC name of 10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine (CID 166527275) is 10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine.
What is the SMILES notation for 10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine?
The canonical SMILES for 10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine is Cc1cccn2c(N3c4ccccc4Sc4ccccc43)c(-c3ccccc3)cc12.
What is the InChIKey of 10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine?
The InChIKey is JJMIBOWYPNUYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2S/c1-19-10-9-17-28-24(19)18-21(20-11-3-2-4-12-20)27(28)29-22-13-5-7-15-25(22)30-26-16-8-6-14-23(26)29/h2-18H,1H3.
What are the key properties of 10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine?
10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine has a molecular weight of 404.54 g/mol, XLogP of 7.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine is sourced from PubChem (CID 166527275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).